Chem
J-GLOBAL ID:200907048512011201   Nikkaji number:J889.435C

3β-Acetoxyspiro[5α-cholestane-6,3′-[1,2,4]triazolidine]-5′-thione

3β-アセトキシスピロ[5α-コレスタン-6,3′-[1,2,4]トリアゾリジン]-5′-チオン
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C30H51N3O2S
Molecular formula furigana: C30-H51-N3-O2-S
Molecular weight: 517.820
InChI: InChI=1S/C30H51N3O2S/c1-18(2)8-7-9-19(3)23-10-11-24-22-17-30(31-27(36)32-33-30)26-16-21(35-20(4)34)12-14-29(26,6)25(22)13-15-28(23,24)5/h18-19,21-26,33H,7-17H2,1-6H3,(H2,31,32,36)/t19-,21+,22+,23-,24+,25+,26+,28-,29-,30?/m1/s1
InChI key: FSBSWSUESISWFH-VLTKQWQZSA-N
SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC4(NNC(=S)N4)[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C
Systematic name  (3):
  • 3β-アセトキシスピロ[5α-コレスタン-6,3′-[1,2,4]トリアゾリジン]-5′-チオン
  • (1R,3aS,3bS,5aS,7S,9aR,9bS,11aR)-9a,11a-ジメチル-1-[(2R)-6-メチルヘプタン-2-イル]-5'-スルファニリデン-ヘキサデカヒドロスピロ[シクロペンタ[a]フェナントレン-5,2'-[1,3,4]トリアゾリジン]-7-イル アセタート
  • (1R,3aS,3bS,5aS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-5'-sulfanylidene-hexadecahydrospiro[cyclopenta[a]phenanthrene-5,2'-[1,3,4]triazolidin]-7-yl acetate
Other name (1):
  • 3β-Acetoxyspiro[5α-cholestane-6,3′-[1,2,4]triazolidine]-5′-thione
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